艾拉普林
TL;DR: 艾拉普林 (CAS 220629-90-3) is a chemical compound with molecular formula C19H22N4O3 and molecular weight 354.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
艾拉普林
5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine
Also Known As: Iclaprim, Mersarex, Ceftobiprole, Iclaprime, iclaprimum
| Molecular Formula | C19H22N4O3 |
|---|---|
| Molecular Weight | 354.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.1692 |
| Heavy Atoms | 26 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 220629-90-3 |
|---|---|
| SMILES | COC1=C(C2=C(C=CC(O2)C3CC3)C(=C1)CC4=CN=C(N=C4N)N)OC |
| InChIKey | HWJPWWYTGBZDEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
艾拉普林 (CAS 220629-90-3), with molecular formula C19H22N4O3 and molecular weight 354.17 g/mol. IUPAC: 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine.
Chemical Property Profile of 艾拉普林
Property Insights of 艾拉普林
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 艾拉普林. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 艾拉普林. Following Lipinski's Rule of Five, 艾拉普林 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 艾拉普林?
The CAS number of 艾拉普林 is 220629-90-3.
What is the molecular formula of 艾拉普林?
The molecular formula of 艾拉普林 is C19H22N4O3.
What is the molecular weight of 艾拉普林?
The molecular weight of 艾拉普林 is 354.17 g/mol.
Where can I buy 艾拉普林?
You can request a quote for 艾拉普林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 艾拉普林?
Yes, KEHONG BIO provides custom synthesis services for 艾拉普林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.